HMDB0012281 RDKit 3D Portulacaxanthin II 45 46 0 0 0 0 0 0 0 0999 V2000 -6.0854 2.4107 3.7133 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8383 2.5324 3.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2091 3.4060 4.5351 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0689 1.7533 2.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 1.8978 2.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9582 1.1217 1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6573 1.0986 1.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 0.3507 0.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4533 0.3784 1.1807 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3966 -0.3341 0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4314 0.4052 -0.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3515 -0.2049 -1.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6707 0.1933 -1.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5415 -0.3549 -2.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1232 -1.3019 -3.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9809 -1.8751 -4.6872 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7968 -1.6791 -3.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 -1.1553 -2.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0481 -1.7434 0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7944 -2.5083 -0.4744 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8893 -2.2398 0.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 0.3971 0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8948 -0.2402 1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6202 -1.0136 0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7966 -0.6851 -0.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0638 -2.1013 -0.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 0.8371 1.8137 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0537 4.3612 4.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2406 2.5900 3.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1776 1.6622 2.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 -0.2308 0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3971 -0.1896 0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4076 0.5462 -1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8326 1.4337 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 0.9462 -1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5727 -0.0492 -2.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1077 -1.4507 -5.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4467 -2.4341 -4.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8368 -1.4624 -2.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6992 -3.1961 0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0357 1.1725 -0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0687 -0.3660 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5276 -0.8679 2.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5957 -2.7929 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7147 0.9825 1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 10 19 1 0 19 20 2 0 19 21 1 0 6 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 23 27 1 0 27 4 1 0 18 12 1 0 3 28 1 0 5 29 1 0 7 30 1 0 8 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 13 35 1 0 14 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 21 40 1 0 22 41 1 0 22 42 1 0 23 43 1 0 26 44 1 0 27 45 1 0 M END